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Crystal structure of pseudomonas stutzeri L-rhamnose isomerase mutant H101N in complex with D-allopyranose
Analyse Crystal structure of pseudomonas stutzeri L-rhamnose isomerase mutant H101N in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GJJ
- Type
- protein
- Length
- 1,690 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-rhamnose isomerase
- EC
- 5.3.1.14
- UniProt
- Q75WH8
- Ligands
- AOS, AFD, MN
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | L-rhamnose isomerase (EC 5.3.1.14) | protein | 421 | 50% helix, 11% strand | Q75WH8 |
| C | L-rhamnose isomerase (EC 5.3.1.14) | protein | 429 | 48% helix, 11% strand | Q75WH8 |
| D | L-rhamnose isomerase (EC 5.3.1.14) | protein | 419 | 50% helix, 11% strand | Q75WH8 |
Ligands and binding sites
- AOS · D-allose · ligand · 3 copies · chains A, B, C, D
- AFD · alpha-D-allopyranose · ligand · chains A, B
- MN · Manganese (II) ion · metal · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1033 | 0.83 | 0.84 | 102 | empty |
| 2 | 219 | 0.82 | 0.96 | 63 | MN |
| 3 | 1087 | 0.81 | 0.83 | 98 | empty |
| 4 | 133 | 0.80 | 0.98 | 34 | empty |
| 5 | 185 | 0.80 | 0.95 | 40 | MN |
Interfaces
6 interfaces between chains.
- B–D · 2465 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 2412 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2230 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1976 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1682 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4GJJ · Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant H101N in complex… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q75WH8
- Elsewhere: RCSB PDB 4GJJ · PDBe 4GJJ · UniProt Q75WH8
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